Home Carboxys 3-Oxoindan-4-carboxylic acid

3-Oxoindan-4-carboxylic acid

CAS No.:
71005-12-4
Catalog Number:
AG005PDI
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
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Product Description
Catalog Number:
AG005PDI
Chemical Name:
3-Oxoindan-4-carboxylic acid
CAS Number:
71005-12-4
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD09758978
IUPAC Name:
3-oxo-1,2-dihydroindene-4-carboxylic acid
InChI:
InChI=1S/C10H8O3/c11-8-5-4-6-2-1-3-7(9(6)8)10(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key:
PHXDJUCKRPYDTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1C(=O)CC2
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties